Chemical ID: 6718706

C[NH+](C)CCC[NH+]1CCC[NH2+]C1
Chemical ID:
6718706
Name [?]:
dimethyl-[3-(2,4,5,6-tetrahydropyrimidin-1-yl)propyl]ammonium
SMILES [?]:
C[NH+](C)CCC[NH+]1CCC[NH2+]C1
InChi [?]:
InChI=1/C9H21N3/c1-11(2)6-4-8-12-7-3-5-10-9-12/h10H,3-9H2,1-2H3/p+3
InChi Info:
AuxInfo=1/1/N:1,3,9,5,10,4,8,6,12,11,2,7/E:(1,2)/rA:12cCN+CCCCN+CCCN+C/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H24N3+3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-191.48
Area:360.55
Solvation:-200.494
Coulombic:210.735
Bond Count [?]
All:12
Single:12
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:174.307
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:0.17
LogP (Chemaxon):0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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